Information card for entry 2000183

Structure parameters

• Formula: C18 H26 O12
• Calculated formula: C18 H26 O12
• SMILES: CC(=O)O[C@@H]([C@@H]([C@@H](OC(=O)C)COC(=O)C)OC(=O)C)[C@H](OC(=O)C)COC(=O)C
• Title of publication: Structure of 1,2,3,4,5,6-hexa-<i>O</i>-acetyl-<small>D</small>-glucitol (sorbitol hexaacetate)
• Authors of publication: Kopf, J.; Topf, C.; Morf, M.; Zimmer, B.; Köll, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 2425 - 2428
• a: 10.251 ± 0.001 Å
• b: 8.37 ± 0.001 Å
• c: 12.548 ± 0.001 Å
• α: 90°
• β: 95.98 ± 0.05°
• γ: 90°
• Cell volume: 1070.8 ± 0.2 ų
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Diffraction radiation wavelength: 0.70926 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No